3,3'-(ethane-1,2-diyl)bis[2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one]
Chemical Structure Depiction of
3,3'-(ethane-1,2-diyl)bis[2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one]
3,3'-(ethane-1,2-diyl)bis[2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one]
Compound characteristics
| Compound ID: | K284-7424 |
| Compound Name: | 3,3'-(ethane-1,2-diyl)bis[2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one] |
| Molecular Weight: | 698.78 |
| Molecular Formula: | C36 H26 N8 O4 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O)N1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8647 |
| logD: | 2.8647 |
| logSw: | -3.6127 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.505 |
| InChI Key: | AQMRMBAOYODLMU-UHFFFAOYSA-N |